(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol

C20H40O4Si — CID 10044824

IUPAC(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol
SMILESCCOC(C)O[C@@H]1/C(=C\CO)CCC[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-9-22-16(2)24-18-17(12-14-21)11-10-13-20(18,6)15-23-25(7,8)19(3,4)5/h12,16,18,21H,9-11,13-15H2,1-8H3/b17-12-/t16?,18-,20-/m1/s1
InChIKeyOIEWCPRJFJFSHK-MSPIJKQBSA-N
MW372.62 g/mol
LogP4.88
Rot. Bonds8

About (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol

(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol (PubChem CID 10044824) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol.

Molecular Properties

Compound Name(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol
PubChem CID10044824
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol
SMILESCCOC(C)O[C@@H]1/C(=C\CO)CCC[C@]1(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O4Si/c1-9-22-16(2)24-18-17(12-14-21)11-10-13-20(18,6)15-23-25(7,8)19(3,4)5/h12,16,18,21H,9-11,13-15H2,1-8H3/b17-12-/t16?,18-,20-/m1/s1
InChIKeyOIEWCPRJFJFSHK-MSPIJKQBSA-N
XLogP4.88
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol?
The IUPAC name of (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol (CID 10044824) is (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol.
What is the SMILES notation for (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol?
The canonical SMILES for (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol is CCOC(C)O[C@@H]1/C(=C\CO)CCC[C@]1(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol?
The InChIKey is OIEWCPRJFJFSHK-MSPIJKQBSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-9-22-16(2)24-18-17(12-14-21)11-10-13-20(18,6)15-23-25(7,8)19(3,4)5/h12,16,18,21H,9-11,13-15H2,1-8H3/b17-12-/t16?,18-,20-/m1/s1.
What are the key properties of (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol?
(2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol has a molecular weight of 372.62 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2R,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(1-ethoxyethoxy)-3-methylcyclohexylidene]ethanol is sourced from PubChem (CID 10044824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).